TPCN04217
Name | Bdfejasuponin IVb;Buddlejasaponin IVb;Buddlejasaponon Ivb;Stellarinpin A |
Molecular Formula | C48H78O18 |
Molecular Weight | 943.13 |
CAS Registry Number | 152580-79-5 |
SMILES | CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)C(O)CC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Lamiaceae | Clinopodium chinense | Whole plants | 0.008421% | J Nat Prod 58(2): 184-188. | 10.1021/np50116a004 |
Apiaceae | Pleurospermum kamtschaticum | Aerial parts | 0.007000% | Chem Pharm Bull (Tokyo) 60(8): 1011-1018. | 10.1248/cpb.c12-00274 |
Lamiaceae | Clinopodium polycephalum | Aerial parts | 0.000779% | J Asian Nat Prod Res . 2017 Jul;19(7):697-703 | 10.1080/10286020.2016.1254199 |
Caryophyllaceae | Stellaria media | Aerial parts | 0.000400% | Nat Prod Res . 2009;23(14):1274-8 | 10.1080/14786410701642532 |
Properties
HBA | 18 | HBD | 12 |
HeavyAtoms | 66 | AlogP | -0.50 |
TPSA | 298.14 | RotatableBonds | 10 |
FractionCSP3 | 0.92 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |